2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide

C23H27F4N3O — CID 70555219

IUPAC2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide
SMILESCC(C)(C(=O)NCCC1CN(c2cccc(C(F)(F)F)c2)CCN1)c1ccc(F)cc1
InChIInChI=1S/C23H27F4N3O/c1-22(2,16-6-8-18(24)9-7-16)21(31)29-11-10-19-15-30(13-12-28-19)20-5-3-4-17(14-20)23(25,26)27/h3-9,14,19,28H,10-13,15H2,1-2H3,(H,29,31)
InChIKeyNKGNKPKVMDDCFO-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.11
Rot. Bonds6

About 2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide

2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide (PubChem CID 70555219) has the molecular formula C23H27F4N3O and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide
PubChem CID70555219
Molecular FormulaC23H27F4N3O
Molecular Weight437.48 g/mol
Exact Mass437.21
IUPAC Name2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide
SMILESCC(C)(C(=O)NCCC1CN(c2cccc(C(F)(F)F)c2)CCN1)c1ccc(F)cc1
InChIInChI=1S/C23H27F4N3O/c1-22(2,16-6-8-18(24)9-7-16)21(31)29-11-10-19-15-30(13-12-28-19)20-5-3-4-17(14-20)23(25,26)27/h3-9,14,19,28H,10-13,15H2,1-2H3,(H,29,31)
InChIKeyNKGNKPKVMDDCFO-UHFFFAOYSA-N
XLogP4.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64924394
3-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]piperazine
CID 70097382
N-(3,3-dimethylbutyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38332211
2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445254
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 1329053
N-[2-(3-fluorophenoxy)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38336448
3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119177515
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 146485945

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide (CID 70555219) is 2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide is CC(C)(C(=O)NCCC1CN(c2cccc(C(F)(F)F)c2)CCN1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide?
The InChIKey is NKGNKPKVMDDCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F4N3O/c1-22(2,16-6-8-18(24)9-7-16)21(31)29-11-10-19-15-30(13-12-28-19)20-5-3-4-17(14-20)23(25,26)27/h3-9,14,19,28H,10-13,15H2,1-2H3,(H,29,31).
What are the key properties of 2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide?
2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide has a molecular weight of 437.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-2-yl]ethyl]propanamide is sourced from PubChem (CID 70555219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).